AMBER Archive (2006)

Subject: Re: AMBER: How to specify user defined force fields or its parameters in amber??

From: Carlos Simmerling (
Date: Tue Nov 28 2006 - 06:11:51 CST

yes, it is possible and quite common to modify parameters.
I suggest that you work through some of the Amber tutorials
that show how to do this. Check the Amber page or Ross Walker's

then you can ask questions about things that are not covered in
any of the tutorials.

Gobind Singh Bisht wrote:

> Dear amber users,
> Is thr anyway you can specify a user
> defined force field in amber or atleast your own set of parameters?.
> One way could be change edit the source code itself or the parameter
> files. Even if u have to do that, U need to know the structure of the
> source code, which i dont. Can someone help me or guide me to some
> tutorial.
> thanx in advance
> --
> ----------------------------------------------------------------------------------------------------------------
> Gobind Singh Bisht
> Department Of Biotechnology
> IIT Kharagpur, Kharagpur-721302
> West Bengal, India
> Ph No: +919932604909
> Website:
> ----------------------------------------------------------------------------------------------------------------

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